Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- University of Tennessee at KnoxvilleUS2.7k papers
- Centre National de la Recherche ScientifiqueFR1k papers
- Lawrence Berkeley National LaboratoryUS880 papers
- The Ohio State UniversityUS798 papers
- The University of TokyoJP735 papers
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR681 papers
- Los Alamos National LaboratoryUS663 papers
- Institute for High Energy PhysicsES644 papers
- Institut National de Physique Nucléaire et de Physique des ParticulesFR621 papers
- University of Illinois Urbana-ChampaignUS618 papers
- Brookhaven National LaboratoryUS612 papers
- Universidade de São PauloBR612 papers
33 papers · 2 filters
Thermodynamics of Electromechanically-Coupled Mixed Ionic-Electronic Conductors: Deformation potential, Vegard strains and Flexoelectric effect
A. N. Morozovska, E. A. Eliseev, A. K. Tagantsev +3
Strong coupling among external voltage, electrochemical potentials, concentrations of electronic and ionic species, and strains is a ubiquitous feature of solid state mixed ionic-e…
Magnetic Structure in Fe/Sm-Co Exchange Spring Bilayers with Intermixed Interfaces
Yaohua Liu, S. G. E. te Velthuis, J. S. Jiang +5
The depth profile of the intrinsic magnetic properties in an Fe/Sm-Co bilayer fabricated under nearly optimal spring-magnet conditions was determined by complementary studies of po…
Landau-Ginzburg-Devonshire theory for electromechanical hysteresis loop formation in piezoresponse force microscopy of thin films
A. N. Morozovska, E. A. Eliseev, S. L. Bravina +1
Electromechanical hysteresis loop formation in piezoresponse force microscopy of thin ferroelectric films is studied with special emphasis on the effects of tip size and film thick…
Control of defect-mediated tunneling barrier heights in ultrathin MgO films
D. J. Kim, W. S. Choi, F. Schleicher +9
The impact of oxygen vacancies on local tunneling properties across rf-sputtered MgO thin films was investigated by optical absorption spectroscopy and conducting atomic force micr…
Identification of the major cause of endemically poor mobilities in SiC/SiO2 structures
Xiao Shen, Sokrates T. Pantelides
Materials with good carrier mobilities are desired for device applications, but in real devices the mobilities are usually limited by the presence of interfaces and contacts. Mobil…
Design of a low band gap oxide ferroelectric: BiTiO
Bo Xu, David J. Singh, Valentino R. Cooper +1
A strategy for obtaining low band gap oxide ferroelectrics based on charge imbalance is described and illustrated by first principles studies of the hypothetical compound BiTi$…
Polymeric forms of carbon in dense lithium carbide
Xing-Qiu Chen, C. L. Fu, C. Franchini
The immense interest in carbon nanomaterials continues to stimulate intense research activities aimed to realize carbon nanowires, since linear chains of carbon atoms are expected…
Atomic-scale compensation phenomena at polar interfaces
Matthew F. Chisholm, Weidong Luo, Mark P. Oxley +2
The interfacial screening charge that arises to compensate electric fields of dielectric or ferroelectric thin films is now recognized as the most important factor in determining t…
Half-Heusler Topological Insulators: A First-Principle Study with the Tran-Blaha Modified Becke-Johnson Density Functional
Wanxiang Feng, Di Xiao, Ying Zhang +1
We systematically investigate the topological band structures of half-Heusler compounds using first-principles calculations. The modified Becke-Johnson exchange potential together…
Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films
J. H. Nam, H. S. Kim, A. J. Hatt +2
The recent discovery of a stress-induced structural phase transition in the single-component perovskite BiFeO3 has revived interest in this lead-free ferroelectric. The coexistence…
Electronic Structure Calculations with the Tran-Blaha Modified Becke-Johnson Density Functional
David J. Singh
We report a series of calculations testing the predictions of the Tran-Blaha functional for the electronic structure and magnetic properties of condensed systems. We find a general…
Effect of -site size difference on polar behavior in BiScNbO,(Na, K and Rb): Density functional calculations
S. Takagi, A. Subedi, V. R. Cooper +1
We investigate the effect of -site size differences in the double perovskites BiScO-NbO (Na, K and Rb) using first-principles calculations. We find that the pol…
Structure and optical properties of high light output halide scintillators
David J. Singh
Structural and optical properties of several high light output halide scintillators and closely related materials are presented based on first principles calculations. The optical…
Asymmetric orbital-lattice interactions in ultra-thin correlated oxide films
J. Chakhalian, J. M. Rondinelli, Jian Liu +14
Using resonant X-ray spectroscopies combined with density functional calculations, we find an asymmetric bi-axial strain-induced -orbital response in ultra-thin films of the cor…
Half-Heusler Compounds as a New Class of Three-Dimensional Topological Insulators
Di Xiao, Yugui Yao, Wanxiang Feng +5
Using first-principles calculations within density functional theory, we explore the feasibility of converting ternary half-Heusler compounds into a new class of three-dimensional…
Three-Dimensional Topological Insulators in I-III-VI and II-IV-V Chalcopyrite Semiconductors
Wanxiang Feng, Jun Ding, Di Xiao +1
The recent discovery of topological insulators with exotic metallic surface states has garnered great interest in the fields of condensed matter physics and materials science. A nu…
Magnetic interaction at an interface between manganite and other transition metal oxides
Satoshi Okamoto
A general consideration is presented for the magnetic interaction at an interface between a perovskite manganite and other transition metal oxides. The latter is specified by the e…
Oxygen-Induced Surface Reconstruction of SrRuO3 and Its Effect on the BaTiO3 Interface
Junsoo Shin, Albina Y. Borisevich, Vincent Meunier +4
Atomically engineered oxide multilayers and superlattices display unique properties responsive to the electronic and atomic structures of the interfaces. We have followed the growt…
Quantum Monte Carlo Calculations of Dihydrogen Binding Energetics on Ca Cations: an Assessment of Errors in Density Functionals for Weakly Bonded Systems
Michal Bajdich, Fernando A. Reboredo, P. R. C. Kent
We investigate the binding of single and quadruple hydrogen molecules on a positively charged Ca ion. By comparing with benchmark quantum Monte Carlo (QMC) calculations we demonstr…
Magnetodielectric coupling of infrared phonons in single crystal CuOSeO
K. H. Miller, X. S. Xu, H. Berger +4
Reflection and transmission as a function of temperature have been measured on a single crystal of the magnetoelectric ferrimagnetic compound CuOSeO utilizing light spa…
Thermopower of SnTe from Boltzmann Transport Calculations
D. J. Singh
The doping and temperature dependent thermopower of SnTe is calculated from the first principles band structure using Boltzmann transport theory. We find that the -type thermopo…
Interface ferromagnetism and orbital reconstruction in BiFeO3- La0.7Sr0.3MnO3 heterostructures
P. Yu, J. -S. Lee, S. Okamoto +14
We report the formation of a novel ferromagnetic state in the antiferromagnet BiFeO3 at the interface with La0.7Sr0.3MnO3. Using x-ray magnetic circular dichroism at Mn and Fe L2,3…
Piezoelectricity in the dielectric component of nanoscale dielectric/ferroelectric superlattices
Ji Young Jo, Rebecca J. Sichel, Ho Nyung Lee +3
The origin of the functional properties of complex oxide superlattices can be resolved using time-resolved synchrotron x-ray diffraction into contributions from the component layer…
Einstein Modes in the Phonon Density of States of the Single-Filled Skutterudite YbCoSb
I. K. Dimitrov, M. E. Manley, S. M. Shapiro +8
Measurements of the phonon density of states by inelastic neutron \emph{time-of-flight} scattering and specific heat measurements along with first principles calculations, provide…